SCHEMBL7056727

SCHEMBL7056727

CC(=Nc1ccc(C)cc1C(C)C)c1cccc(C(C)=Nc2c(C)cccc2C)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5588276 0.92 TRPA1 (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5587396 0.91 TRPA1 (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL2552351 0.86 SIGMAR1 (0.40) LMNASLC6A2HTR2BSCN5ASCN2A
SCHEMBL12266059 0.86 SIGMAR1 (0.40) LMNASLC6A2HTR2BSCN5ASCN2A
SCHEMBL2552353 0.86 SIGMAR1 (0.40) LMNASLC6A2HTR2BSCN5ASCN2A
Hydrochloric Acid SCHEMBL2551576 0.84 SIGMAR1 (0.38) LMNASLC6A2HTR2BSCN5ASCN2A
Hydrochloric Acid SCHEMBL2551573 0.84 NOS3 (0.39) LMNASLC6A2HTR2BSCN5ASCN2A
SCHEMBL18543889 0.83 GABRA1 (0.36) LMNASLC6A2HTR2BMEN1KMT2A
SCHEMBL6906013 0.83 GABRA1 (0.36) LMNASLC6A2HTR2BMEN1KMT2A
SCHEMBL14280777 0.82 SCN5A (0.39) LMNAMEN1KMT2ASMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed